SCHEMBL17829675

SCHEMBL17829675

O=Cc1cn(Cc2ccccc2)c2c(Cl)c(Cl)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 12/20 0.47
ALDH1A1 P00352 10/20 0.47
HTT P42858 6/20 0.47
LMNA P02545 6/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 4/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CYP1A2 P05177 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGS2 P35354 1/20 0.37
SNCA P37840 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17829640 0.84 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1HTTLMNATDP1
SCHEMBL17829679 0.74 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1HTTLMNATDP1
SCHEMBL17829698 0.74 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1HTTLMNATDP1
SCHEMBL1418988 0.74 ALDH1A1 (0.78) SMN1; SMN2ALDH1A1HTTLMNATDP1
SCHEMBL29377589 0.74 ALDH1A1 (0.78) SMN1; SMN2ALDH1A1HTTLMNATDP1
SCHEMBL17829730 0.74 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1HTTLMNATDP1
SCHEMBL17829706 0.73 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1HTTLMNATDP1
SCHEMBL17829727 0.73 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1HTTLMNATDP1
SCHEMBL1757793 0.73 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1HTTLMNATDP1
SCHEMBL17829696 0.71 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1HTTLMNATDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 SMN1; SMN2 4192/4885ALDH1A1 4840/4885HTT 4051/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.